Papers

Global In-situ Observation (GIO) provides fine-scale, direct records of the global weather system from sparse point stations, making it an indispensable source for capturing localized and transient dynamics beyond the reach of satellite gridded data, and playing a critical role in key fields such as numerical weather prediction, disaster prevention, and agriculture. However, GIO exhibits strong spatiotemporal incompleteness, severely impairing accurate and real-time in-situ weather modeling. Unlike existing methods waiting for completed AI-ready data with extra introduced errors, in this work, we explore UniGIO, a novel generative framework for directly modeling global in-situ weather dynamics from native incomplete GIO. By generating missing data from observed ones annotated by masks, it unifies the coexisting forecasting, imputation, and generation under arbitrary missing ratios. Between the missing and observed, UniGIO captures station and region level complementarity through the Observation Mixer and Event Aligner, which diffuse discrete observations into continuous spaces where weather processes naturally span multiple stations. We further establish temporal dependencies with pattern shifts using the Adaptive Temporal Mixer, and track extreme events in chaotic local weather systems through a Mixture-ofExperts structure. Steady and extreme events are adapted in decoder by a Local Refiner. Extensive experiments on the up-todate largest global station weather dataset Weather-5K validate its SOTA performance with 11%, 12%, and 5% advantages on accuracy, fidelity, and extreme event capture, delivering a novel holistic solution for weather modeling in GIO networks.

Industrialized construction imposes stringent precision requirements on robotic assembly of modular components such as prefabricated window units. In tolerance-critical operations, the central bottleneck is not only mechanical clearance but also converting tacit installer expertise into data-efficient autonomy under sparse acceptance feedback, contact variability, and millimeter-scale constraints. We present an installer-in-the-loop interactive reinforcement learning framework that acquires expertise through offline teleoperated demonstrations, sparse event-driven binary takeovers at contact-failure boundaries, and acceptance-aligned terminal rewards, logged under a unified schema for traceable offline-to-online adaptation. A temporally abstract action-sequence policy built on Q-chunking with Flow Q-Learning captures multimodal recovery maneuvers under sparse terminal rewards, while a non-updating warm-start phase stabilizes the offline-to-online transition. The framework is evaluated in MuJoCo across the workflow from suction acquisition through clearance-limited seating, under structured staging and end-to-end randomized placement. Within a defined stress-test regime with 2 mm per-side clearance, bounded pose perturbations, and friction randomization, the pipeline attains 100% autonomous seating with 12–15 min of cumulative installer supervision over 3.0 h of online training, and reaches the 95% success milestone in approximately 0.5 h and 1.5 h in the two experiments. We also report wall-clock adaptation time, cumulative takeover minutes, intervention-rate decay, and stage-wise failure attribution to inform supervision budgeting. Ablations isolate the complementary contributions of temporal abstraction, installer intervention, and warm-start value calibration.

Predicting drug–target binding affinity (DTA) requires models to distinguish subtle chemical and structural determinants underlying molecular recognition. Although recent approaches increasingly incorporate richer drug and protein information, such information may be compressed, homogenized or discretized during representation construction, causing affinity-relevant distinctions to be lost before interaction modelling. We hypothesized that this representation-stage information loss constitutes an upstream bottleneck that cannot be reliably overcome by increasingly complex interaction predictors. To test this hypothesis, we developed ReGeoDTA, a representation-preserving framework that maintains affinity-relevant chemical heterogeneity in molecular representations and continuous geometric relationships in protein structures. Across three benchmark datasets, ReGeoDTA consistently improved affinity prediction, and the proposed representation-preserving strategies retained their benefits across diverse DTA architectures. Controlled representation degradation progressively reduced predictive performance, whereas increasing downstream predictor complexity failed to recover information lost during representation construction. These findings identify representation fidelity as an upstream design principle for accurate and generalizable drug–target affinity prediction, with potential implications for computational compound prioritization.

Self-supervised pretraining has transformed language and vision, but its value for molecular graph neural networks remains contested. We ask whether pretraining on a large unlabelled corpus improves molecular property prediction. We adapt LeJEPA, a predictor-free joint-embedding predictive architecture regularised by Sketched Isotropic Gaussian Regularisation (SIGReg), to molecular graphs, evaluating GPS and Chemprop-style D-MPNN encoders on the Wong et al. [1] antibiotic-activity dataset and ogbg-molhiv using a multi-seed, bootstrap-based protocol. Pretraining improves learned representations but does not robustly improve finetuning. A frozen probe on pretrained embeddings exceeds random initialisation on both tasks (ogbg-molhiv ROC-AUC 0.788 vs 0.665; +0.123), reaching the published self-supervised band, but this does not translate into finetuning gains. On the antibiotic scaffold split, a canonical partition is significant (delta AUPRC +0.041, p = 0.010), but the effect vanishes across five partitions (pooled +0.013, p = 0.095). Finetuning is null on the random split, ogbg-molhiv, and D-MPNN. The representational edge is nevertheless recoverable. Embeddings saturate at ~16-32 effective dimensions, whereas Morgan fingerprints improve to 1024 bits. At matched dimensionality, fingerprints lead validation (0.799 vs 0.782 at 128 dimensions) but trail shifted test scaffolds (0.759 vs 0.788). Truncating embeddings and combining them with a 1024-bit Morgan fingerprint raises ogbg-molhiv ROC-AUC from 0.805 to 0.832 (delta +0.027; 95% CI [+0.003, +0.054]; p = 0.014); an untrained encoder gains nothing (delta -0.003). Thus, pretraining supplies complementary information best realised through feature-level combination, while finetuning gains are weak and partition-dependent.

Several classical machine-learning methods, such as KRRs and SVRs, are both computationally and analytically tractable since their estimators either admit closed-form expressions or are obtained by minimizing convex training objectives; neither feature is generally available for deep neural networks. We address this by introducing a simple closed-form “two-stage” compositional formula $\hat{f}$ for reconstructing an unknown Lipschitz function $f:\mathcal{X}\to \mathbb{R}$ on a metric space $(\mathcal X,\rho)$ from $N$ i.i.d. noisy observations. Our main result is a high-probability uniform ($L^{\infty}$) recovery guarantee that jointly controls approximation and statistical errors while enjoying an optimization error of zero; in particular, we do not assume oracle access to an approximate ERM. Our secondary main results establish the optimality of our formula in three complementary senses. 1) Function space: On Ahlfors-regular metric spaces, the hypothesis class parameterized by our formula attains the optimal fat-shattering dimension. 2) Parameter space: Its dependence on the parameters is maximally numerically stable, in the sense that a smaller approximation error cannot be achieved with a smaller Lipschitz dependence on the model parameters. 3) Forward pass: Its dependence on the input is maximally regular, matching the Lipschitz constant of the target function $f$. When $\mathcal X=[0,1]^d$ is equipped with the $\ell^\infty$ norm, $\hat{f}$ admits algorithmic ReLU-MLP and exact ReLU-multi-head transformer realizations of depth $\mathcal{O}(\log(N))$ with $\mathcal{O}(N)$ nonzero parameters.

Conformal risk control is an emerging framework for the safe deployment of machine learning models with finite-sample guarantees. To accommodate a broader class of risk notions, quantile risk control extends this framework to quantile-based risk measures. However, existing methods either suffer from excessive conservatism or lack rigorous finite-sample guarantees. To address these limitations, we introduce Occupancy-based Quantile Risk Control (OQRC), a novel method that provides tight risk control bounds with finite-sample validity. Our key idea is to formulate risk control as a finite-occupancy problem by partitioning the loss space with the ordered calibration losses. Specifically, we estimate the distribution of test losses across the resulting bins and upper-bound the risk by the maximum loss attained within each bin. We then select the parameter $\lambda$ such that this upper bound does not exceed a predefined threshold $\alpha$ with high probability $1-\delta$. Theoretically, we establish a finite-sample guarantee showing that OQRC yields tight risk control bounds that converge to the optimal bounds at a provable rate of $\mathcal{O}_ p(n^{-1/2})$. Extensive experiments demonstrate the effectiveness of our method, reducing the risk gap by up to 78.64% on common benchmarks.

The Gromov-Wasserstein (GW) distance provides a principled framework for aligning metric measure (mm) spaces based solely on their intrinsic structure. Its ability to identify isomorphic representations of distributions across spaces renders it valuable for comparing data where equality up to isomorphism occurs naturally such as in graphs or, more generally, distributions on graphs. Recently, a type of dual form for the GW distance between Euclidean distributions with the squared Euclidean or inner product costs was derived, spurring the development of new statistical and algorithmic results for this setting. This work furnishes a novel duality result for GW distances with and without entropic regularization that is applicable to all finitely supported mm spaces. Leveraging this result, we derive the sample complexity of empirical GW distances between finite mm spaces, as well as limit distributions under proper centering and scaling. Furthermore, we propose new algorithms for solving the regularized GW problem which are subject to formal convergence guarantees. These statistical and algorithmic advancements give rise to a principled and efficient framework for testing whether two distributions on the set of graphs with a fixed number of nodes are isomorphic based on samples.

Many NLP tasks, such as summarization and extractive question answering, reduce to retrieving relevant content from documents under two constraints: coverage, retaining enough pertinent information to achieve some goal, and conciseness, removing as much irrelevant information as possible. Conformal prediction methods have been used to guarantee coverage, and must be optimized for conciseness through design of a score function. State-of-the-art scoring functions use hand-engineered LLM prompts asking the model to rate the importance of content, but manual prompt engineering is labor-intensive and task-specific. We introduce the Conformal Relevance framework which uses in-context learning example curation and ensembling to create a score function which maintains coverage while improving conciseness with minimal manual input. We demonstrate this framework's application on seven NLP tasks, and also theoretically study the impact of diversity for ensembled conformal scores, giving a complementarity condition that characterizes when ensembling improves worst-case sentence scores, and a saturation bound on ensemble improvement.

Causal inference is the practice of estimating the effect of a treatment or intervention from data. It traditionally requires a bespoke pipeline for every new problem: first proposing a causal mechanism, selecting a compatible estimator, and finally training it. Meanwhile, across diverse settings and modalities, much of machine learning has shifted to the paradigm of foundation models: networks pretrained once at scale and applied to new tasks without fine-tuning. Causal foundation models (CFMs) bring this paradigm to causal inference. CFMs are pretrained neural networks that estimate causal quantities, such as the average treatment effect, on entirely new datasets using in-context learning without requiring model updates. This work provides a practical introduction to this emerging area. We summarize the necessary background in causal inference and machine learning before discussing CFMs. Throughout, we include example code and Jupyter notebooks.

Graph neural networks (GNNs) are a class of neural networks suitable for learning on graph-structured data. Their application to spatial data is a natural extension, however its relatively unclear which message-passing operations, architectural configurations, and graph representation is best suited for classifying changes to objects in electronic navigational charts (ENCs)–geospatial vector datasets used for marine navigation. Maintaining these datasets is a challenge, and categorizing changes to objects in the ENC based on their significance to navigational safety is of particular importance. Here, we propose to represent these vector navigation datasets as a graph structure where the spatial objects serve as nodes and their spatial and semantic relationships form edges. We encode both the old ENC dataset and new ENC dataset into a pair of graphs and frame the task as a graph-pair classification problem. Building on this representation, we investigate the use of GNN architectures to classify whether the encoded graphs constitutes a critical or non-critical risk to navigational safety. We train and evaluate several GNN architectures and model configurations on ENC changes reviewed by maritime experts. Our results demonstrate that graph-based representations improve the classification of ENC updates, providing a scalable approach for automating or improving ENC maintenance workflows.

Gaussian-process Bayesian optimization (GP-BO) excels at black-box optimization of costly functions, e.g., hyperparameter optimization (HPO) and multi-agent system (MAS) design. Convergence-rate guarantees exist for select methods, notably GP upper confidence bound (GP-UCB), but require a fixed kernel. Critically, the kernel encodes how input proximity affects objective value similarity. When raw coordinates poorly match this geometry - as with log-scaled hyperparameters or localized peaks - input warping can greatly improve sample efficiency, yet known GP-UCB proofs require a fixed kernel. We propose Finite-Library Input-Warped Bayesian Optimization (FLIWBO), which selects warps from a finite library of smooth input maps by any history-dependent rule. It adapts the input geometry to accelerate learning while retaining high-probability convergence guarantees under mild hypotheses, with an explicit $\sqrt(N_\varepsilon)$ library-size cost. Controlled diagnostics show that finite-library warping repairs planted geometry mismatches and identify FLIWBO failure cases. Across four repeated benchmarks - warped synthetic objectives, a confidence-fence trap, and Fashion-MNIST HPO - FLIWBO-UCB beats raw-coordinate GP-UCB under misspecified geometry, escapes traps that defeat even oracle-warp expected improvement, and recovers much of the gain from manual log scaling, while leading the tested methods that admit a matching regret guarantee. A 20-dimensional MAS design study further shows feasibility under costly noisy evaluations. Code for experiments is available: https://github.com/edvin-ketabati/bogp-paper-experiments.

Learned graph simulators provide an efficient alternative to high-fidelity solvers for granular dynamics. However, granular motion depends strongly on inter-granular contact history, which is difficult to preserve when particle contacts form, break, and rearrange. Existing simulators mainly store temporal information in node features or node-level memory. Here we introduce TRACE, a graph-network simulator that stores interaction history directly on contact edges. Each edge maintains a persistent memory updated by attention-based message passing and a gated recurrent unit, while an edge-identity dictionary preserves this memory as the contact graph changes. A physics-structured decoder predicts inter-granular normal and tangential contact forces, enforces the Coulomb friction limit, and applies equal-and-opposite internal forces. The model is trained with single-step pretraining followed by autoregressive rollout fine-tuning. We evaluate TRACE on 2D and 3D granular column-collapse benchmarks. In both cases, TRACE produces stable, physically consistent long-horizon rollouts, closely reproducing the final deposit geometry and the kinetic energy released during collapse. Compared with graph network simulator (GNS) and node-memory graph neural simulator (NMGNS), TRACE reduces long-rollout position error by 31-62% and final-deposit error by 58-89% across the two benchmarks, while using fewer parameters and maintaining near-zero particle interpenetration. TRACE also achieves 12.2$\times$ and 8.9$\times$ speedups over the material point method (MPM) reference solver in 2D and 3D, respectively. Our code is available at https://github.com/Data-Driven-Computational-Geotechnics/TRACE.

Reinforcement learning typically optimizes average reward. For generative policies, the average can hide an important distinction: two policies can achieve the same mean reward while having very different chances of producing a rare but high-reward rollout. This matters as sampling increases during training and inference, since its benefit depends on retaining probability mass on high-reward outcomes. We propose to optimize this coverage directly. Rather than considering only expected reward, we consider all of its upper tails: for each reward threshold, how likely is the policy to exceed it? This turns a continuous reward into a family of binary success events. We introduce Tail-Likelihood Reinforcement Learning (TailRL), which maximizes the log-probability of exceeding a randomly chosen reward threshold. Its gradient gives more weight to rare, high-reward rollouts and can be interpreted as a mixture of Best-of-k gradients. TailRL requires only a simple modification to the advantage function, making it compatible with existing reinforcement learning pipelines. Across object localization, maze navigation, GUI grounding, and code optimization, TailRL leverages rare high-reward training samples to avoid suboptimal solutions and yields models that benefit more from additional samples at inference time.

Dynamic networks are being applied in many domains, from social media to logistics systems, each with their own set of special characteristics. A model employed on this type of data must capture the duality between temporal/structural and feature-based information. Yet state-of-the-art deep learning models often struggle to learn especially short-term behavioral interaction signals, such as sender intensity or interaction inertia, directly from raw event streams. To address this gap, we propose a statistical feature augmentation method that explicitly encodes behavioral interaction statistics into the input feature space. We evaluate our proposed method on an anomaly detection task across three real-world datasets (Reddit, Wikipedia, MOOC) and seven models spanning both continuous-time and discrete-time architectures. As a baseline, we apply the same models trained on the original embeddings. Our results show, that augmentation consistently improves detection performance. Beyond performance, the enriched input enables fine-grained post-hoc analysis of behavioral importance, since each statistic occupies a dedicated input dimension. In particular, this work showcases a promising approach for merging classical network analysis with deep learning.

What does a language model predict when it has few clues? The answer lurks in its unembedding geometry: a single direction of the unembedding matrix encodes the unigram distribution of the training corpus, which serves as the Bayesian prior the model falls back on when uncertain. This structure — which we term the direction of ignorance — appears in all four model families examined (Llama, Qwen, Gemma, and Pythia), ranging from 0.4B to 405B parameters. Projecting the final prediction state onto this direction yields a per-token prior loading factor $\lambda$, which, empirically, declines steadily as the context becomes more informative. Formally, the same projection decomposes the prediction state into two orthogonal vectors that correspond exactly to the two factors of a tempered Bayesian update: a unigram prior raised to the exponent $\lambda$ and a context-driven likelihood. This geometric-probabilistic interpretation calibrates $\lambda$, making it meaningfully comparable across model sizes and families, with larger models generally exhibiting lower prior reliance in the high-context limit. Finally, we show that the direction of ignorance is causally active: raising or lowering $\lambda$ at the final prediction state steers the prediction toward or away from the unigram prior in KL divergence.

We study how far gradient descent (GD) can be accelerated by predetermined stepsizes in smooth convex optimization. Going beyond the classical $\Omega(n^{-2})$ first-order oracle lower bound of Nemirovsky and Yudin (1983), we prove an $\Omega(n^{-1.6342})$ non-anytime lower bound and an $\Omega(n^{-1.2408})$ anytime lower bound. These improve the recent $\Omega(n^{-1.932})$ non-anytime lower bound of Ma and Chen (2026) and the $\Omega(n^{-4/3})$ anytime lower bound of Tsai et al. (2026), respectively. Both results continue to hold when the stepsizes may be negative. Our anytime lower bound also shows that the $O(n^{-\log_2(1+\sqrt{2})})$ rate of non-anytime silver schedules (Altschuler and Parrilo, 2025; Grimmer et al., 2025) is unattainable in the anytime setting. This establishes a strict separation between the two settings.

Data-consistent inversion (DCI) constructs probability measures whose push-forward distributions agree with observed data, while iterative data-consistent inversion (iDCI) extends this framework to generalized stochastic inverse problems by enforcing multiple push-forward constraints sequentially. Although iDCI avoids the direct approximation of high-dimensional joint densities, its relationship to the original joint DCI solution has remained unclear. In this work, we establish this relationship through copula theory. Using Sklar's theorem, we derive a factorization of the DCI update into separate marginal and dependence transformations and show that the discrepancy remaining after convergence of the iDCI algorithm is entirely characterized by the copulas associated with the observed and predicted joint distributions. This characterization motivates a copula-transformed iDCI solution, and we prove that an exact copula transformation recovers the original DCI solution. We further establish convergence results for approximate copula transformations under converging sequences of reference measures and progressively enriched feasible sets. Numerical examples demonstrate how the geometry induced by the quantity-of-interest map governs the importance of the copula transformation, illustrate an adaptive reference-measure refinement strategy for improving computational accuracy under a fixed sampling budget, and demonstrate the progressive refinement of generalized stochastic inverse problems through heterogeneous, asynchronously acquired experiments.

Generative models have been studied experimentally and theoretically as priors for inverse problems such as compressed sensing. Recent work by Gunn et al. studied the use of generative priors with tunable complexity, where a family of generative priors with varying complexity is maintained and a specific complexity can be selected at inversion time. They demonstrated that lower reconstruction errors can be experimentally attained for a variety of inverse problems by appropriately tuning the complexity of the generative prior. In the present paper, we establish theory for compressed sensing in the setting of a tunable family of linear generative priors naturally related through their singular value decompositions. We prove that in noiseless Gaussian compressed sensing, the full-dimensional linear prior attains the minimum expected reconstruction error over the entire family of linear priors. Thus, in this idealized linear noiseless setting, tuning to a lower-complexity prior does not improve the expected reconstruction error. This result is in contract to the behavior of denoising, where lower complexity priors attain lower reconstruction errors due to a standard bias-variance tradeoff. This result indicates that the experimental benefits of tunability in compressed sensing with neural network priors arises due to nonlinearities in the generative models.

We study when and how momentum improves large-batch training in the one-pass regime, using power-law kernel regression as a tractable setting. We first characterize risk stability through the critical learning rate, defined as the largest learning rate for stable training, and obtain $\eta_{\mathrm{SGD}}^{\mathrm{crit}}\eqsim 1$, $\eta_{\mathrm{Polyak}}^{\mathrm{crit}}\eqsim \min\{1,B(1-\rho)\}$, and $\eta_{\mathrm{Nesterov}}^{\mathrm{crit}}\eqsim \min\{1,B^\beta(1-\rho)\}$, where $B$ is the batch size, $\rho$ is the momentum factor, and $\beta>1$ is the capacity exponent. Within this admissible region, we derive scaling laws for the full risk dynamics, capturing the progression from an early transient, through power-law decay, to a noise floor. We then minimize the final-step risk over the admissible learning rates and momentum factors under a fixed data budget, yielding a three-regime batch-size phase diagram that reveals how the role of momentum changes with batch size. Notably, Polyak enlarges the critical batch size, the largest batch size preserving the best small-batch data-scaling exponent, thereby enabling greater parallelism without sacrificing data efficiency. In contrast, Nesterov achieves better data efficiency in the large-batch regime because its look-ahead mechanism suppresses noise accumulation. Numerical experiments validate the predicted stability boundaries, risk dynamics, and batch-size phase diagram.

We approximate strongly continuous convex monotone semigroups by learning their Chernoff-type one-step operators with neural operators. First, we introduce the general class of so-called Chernoff-neural operators and show in a universal approximation theorem that they can approximate the Chernoff one-step operators arbitrarily well. By using stability estimates between weighted Hölder spaces, the one-step approximation error can be propagated through the iterations which yields universal approximation of the corresponding semigroup. Second, we introduce the more specialized class of envelope-neural operators for envelope semigroups which allows us to derive quantitative approximation rates. Finally, we illustrate the effectiveness of these neural operators in several numerical examples arising from non-linear partial differential equations, stochastic optimal control and stochastic processes under model uncertainty.

Gaussian graphical models (GGMs) are essential tools for interpretable structure learning. However, in high-dimensional, small-sample regimes, the available data is often insufficient for the maximum likelihood estimator to exist. Colored Gaussian graphical models (CGGMs) mitigate this limitation by imposing symmetry constraints through graph coloring, which reduces the required sample size. This minimal number of observations needed to guarantee that the estimator exists almost surely is defined as the maximum likelihood threshold (MLT). Here, we address the computation of the MLT for CGGMs by focusing on its geometric formulation: finding the minimum rank of a sample covariance matrix such that its projection lies almost surely within the interior of the cone of sufficient statistics. We establish a unified theoretical framework, extending results from uncolored to colored models and introducing new symbolic algorithms. Furthermore, we present a computational study integrating sampling with topological data analysis (TDA) to investigate the local geometry of the cone of sufficient statistics. Our results demonstrate the potential of TDA to overcome the computational bottlenecks of traditional symbolic algebraic methods, particularly Groebner basis computations, in analyzing the likelihood geometry of CGGMs.

A fundamental quantity in machine learning is the optimal performance achievable by any model on a given task. Estimating this quantity allows us to distinguish the irreducible part of the error from a deficiency of the model, telling us how much room for improvement remains. Recent work has shown that the Bayes error, or equivalently the optimal accuracy, can be estimated from soft labels in binary classification. However, accuracy is often a poor summary of performance in settings with severe class imbalance or noisy annotations, where metrics such as the balanced error rate (BER) and the area under the ROC curve (AUC) are more appropriate. We address this gap with two complementary contributions. (i) Estimation. We propose soft-label-based estimators for the optimal BER and AUC. We first consider the clean setting in which true soft labels and the class prior are known, and then extend the estimators to a more realistic setting in which the class prior is unknown and the observed soft labels are corrupted by an unknown order-preserving transformation, possibly followed by additive noise. In the latter setting, we approximately recover the clean soft labels via isotonic regression with auxiliary hard labels, estimate the class prior with a clipped mean of the hard labels, and derive finite-sample error bounds for the resulting plug-in estimators. (ii) Evaluation. Since the optimum is unobservable on real datasets, evaluating any such estimator is itself nontrivial. We extend the FeeBee framework, originally proposed for evaluating Bayes-error estimators, to the optimal BER and AUC. The resulting procedure provides practical evaluation scores without requiring knowledge of the optimum, and applies to any estimator of the optimal BER or AUC, not only our proposed ones. Experiments on synthetic and real-world datasets validate both the estimators and the evaluation procedure.

Learning graph structures from data is a fundamental problem that spans a wide range of signal processing and machine learning tasks. While significant effort has been made to tackle the problem, existing research has largely evolved along two parallel directions. The first seeks to infer the topology of an individual graph from observations supported on it, whereas the second seeks to learn a generative distribution from observed graph instances, enabling the sampling of new graphs. This review presents a unified framework that connects these formulations by viewing them as inverse problems of a common generation process for graph data. We review the major methodologies within this framework, highlight their relationships, strengths, and limitations, and identify opportunities for integrating ideas across paradigms. By bridging graph topology learning and graph generation, this review provides a broader cross-disciplinary perspective on the field and outlines promising directions for future research.

Generative modeling directly on geometric manifolds can avoid errors introduced by flattening non-Euclidean data, repeated ambient projection, and coordinate inconsistency in Euclidean representations. Schrodinger bridges provide a probabilistic generative framework for entropy-regularized transport between prescribed endpoint distributions. We study Schrodinger bridges for kinetic dynamics on Lie group manifolds with state X_t = (g_t, xi_t) in G x g, allowing endpoint observations to constrain only the variables that are actually measured. In particular, the entropy projection determines the conditional law of the unobserved endpoint velocities. For the same observed endpoint bridge, we develop two computational realizations: Wrapped-Kernel Bridge Calibration (WKBC) uses an explicit periodized kinetic kernel on compact Abelian groups, whereas Reciprocal Conditional-Control Bridge Matching (RCCBM) handles compact non-Abelian groups through two-sided endpoint calibration and mollified conditional-control matching. The canonical teacher-mixture path law is itself a Markov reciprocal law, so forward generation uses a calibrated initial law and one learned Doob controller. Moreover, we establish a modular error bound in the bounded-Lipschitz path metric that provides a clean separation of errors due to endpoints, control regression, initialization, discretization, and related approximations. Experiments on multiple Lie group manifold datasets validate the feasibility and consistency of our proposed method, covering protein and RNA torsions, SO(3), U(n), and the Protein Conformational Transition Pathway Generation task using mdCATH trajectories in a compact reduced representation. The source code is publicly available at https://github.com/cafferyzhang12/Schr-dinger_Bridge_on_LieGroup.

We study online maximization of nonnegative, non-monotone DR-submodular functions over compact convex down-closed subsets of the $d$-dimensional unit cube. The best known constructive offline approximation factor is $0.401$ under the corresponding meta-solvability assumptions, whereas comparable adversarial online guarantees had remained at $1/e$. We show that this factor is also achievable online. In the post-decision full-information value-oracle model, our algorithm attains factor $0.401$ with sublinear approximate regret when oracle feedback is conditionally unbiased and bounded. The online algorithm does not run the offline construction on a changing objective. Instead, it replaces the offline objective-dependent box step by a weighted online learner that controls the required residual terms cumulatively. An exact asymmetric balance theorem preserves the offline coefficients despite adversarial variation. The direct implementation has $O(T^{3/4})$ regret and uses $O(dT^{1/4})$ oracle calls per round. More generally, for every $\delta\in[0,1/4]$, batching gives $O(T^\delta)$ calls per round and $O(T^{4/5-\delta/5})$ regret, including a one-call $O(T^{4/5})$ endpoint. Under a positive-anchor condition, randomized blocking retains factor $0.401$ with $O(T^{5/6})$ one-point bandit regret.

Stochastic gradient Markov chain Monte Carlo (SGMCMC) methods enable scalable Bayesian inference, but their performance depends strongly on hyperparameters such as the step size, mini-batch size, and number of leapfrog steps. Since most SGMCMC algorithms lack a Metropolis-Hastings acceptance rate, standard acceptance-based tuning methods are not directly applicable. We propose HyperMC, a multi-fidelity tuning framework that combines Hyperband-style resource allocation with kernel Stein discrepancy (KSD) evaluation. By running multiple successive-halving brackets, HyperMC balances broad exploration of a continuous hyperparameter space with increasingly accurate evaluation of promising configurations under a fixed computational budget. We further introduce Robust HyperMC, which uses global grid initialization followed by elite-guided local refinement to reduce sensitivity to random candidate generation and noisy finite-budget evaluations. Under suitable approximation and concentration conditions for the estimated KSD, we establish that the successive-halving component selects a near-optimal configuration among the sampled candidates with high probability and derive a sufficient computational budget for successful selection. Experiments on logistic regression, probabilistic matrix factorization, and Bayesian neural networks show that HyperMC improves posterior approximation or predictive calibration relative to MAMBA, grid search, and heuristic baselines, while Robust HyperMC yields more stable and reproducible tuning results.

We study poverty minimization via direct transfers, framing this as a statistical learning problem while retaining the information constraints faced by real-world programs. Using nationally representative household consumption surveys from 34 countries that together account for 76% of the world's poor, we estimate that reducing the poverty rate to 1% (from a baseline of 13%) would cost $211 B nominal per year. This is 4.0 times the corresponding reduction in the aggregate poverty gap, but only 19% of the cost of universal basic income. Extrapolated globally, the results imply a cost of 0.28% of global GDP to (approximately) end extreme poverty.

We study a variant of the Thompson Sampling (TS) algorithm, called $\alpha$-TS, for solving stochastic generalized linear bandit problems. Existing analyses of TS require inflating the posterior variance to derive near-optimal regret guarantees. We formalize the idea of variance inflation by introducing $\alpha$-TS that uses a fractional or $\alpha$-posterior instead of the standard posterior. Our main contribution is to identify general regularity conditions on the prior and reward distributions that enable a regret analysis of $\alpha$-TS without assuming any tractable approximation of the posterior distribution, unlike previous works. For a specific choice of $\alpha \propto d^{-1}$, our general regret bound yields the best known regret bound of $O(d^{3/2}\sqrt{T}\log T)$ for both the exponential and sub-Gaussian families of reward distributions. We further provide an $\alpha$-dependent lower bound showing that the regret constant depends on the product $\alpha d$, and that when $\alpha \propto d^{-1}$ the regret scales as $\Omega(d^{3/2}\sqrt{T})$, explaining the origin of the $d^{3/2}$ factor in the upper bound. Our proof technique adapts and combines recent advancements in the analysis of linear bandit problems with first- and second-order posterior concentration theory from the Bayesian statistics literature.

Many statistical models involve parameter-dependent normalizing constants that are computationally intractable, creating substantial obstacles to standard Bayesian inference. Although existing likelihood-based algorithms can often circumvent these constants, their uncertainty quantification may be poorly calibrated under model misspecification. To address these challenges, we propose SME-BETEL, a semiparametric Bayesian framework that combines score matching estimating equations with Bayesian exponentially tilted empirical likelihood. The resulting posterior avoids evaluation of normalizing constants and does not require learning-rate calibration. Building on this framework, we develop a new score matching criterion for mixed-domain data, extending SME-BETEL to models whose observations combine components from different sample spaces. This construction enables robust Bayesian inference for mixed-domain doubly-intractable models. We establish consistency and asymptotic normality of the score matching estimator, and prove a Bernstein-von Mises theorem for the SME-BETEL posterior. These results show that SME-BETEL credible sets are asymptotically calibrated to the sampling variability of the score matching estimator, yielding valid frequentist coverage under model misspecification. Simulation studies show that SME-BETEL remains competitive under correct specification and substantially improves uncertainty quantification under misspecification. An ozone-monitoring application demonstrates the practical utility of the mixed-domain construction for spatial preferential modeling.

A system often has to act long before it learns whether the act worked: a recommender sees a click in seconds and a purchase in days. With $K$ actions and a delay of $d$ rounds, the best rate known for this setting is $\widetilde{O}(\sqrt{(K+d)T})$ over $T$ rounds, so a longer menu is always more expensive to learn from. It need not be: if the outcome depends on the action only through the state it produced, then one late outcome informs every action that could have produced the observed state, and the price is set by how many genuinely different states the actions produce rather than by how many actions there are. We measure this using an effective dimension $v_t$ between $1$ and the number of states, and prove $\widetilde{O}(\sqrt{(d+1)V\log K})$ for a rotating algorithm and $\widetilde{O}(\sqrt{V^{-}}+\sqrt{dT})$ for the single-copy algorithm used in practice, for any budget fixed in advance; merging similar states lowers the price further, at an explicit bias. Even when given the exact losses from $d$ rounds ago, no algorithm escapes $\Omega(\sqrt{dE\min\{1+\log J,T/d\}})$, where $J$ counts the drifting directions and $E$ bounds how far losses move while the learner waits. On generated data, the state channel cuts regret by up to 79 percent against action-level weighting and, on the funnel family, by 32 to 68 percent against a tuned minimax-optimal method.